Geometry & MOs

Info

ID:	435269
PubChem CID:	135187323
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-19.12
Dipole, Da:	1.77
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-2-benzoyl-5,5,8a-trimethyl-6-oxo-1,3,4,4a-tetrahydroisoquinoline-7-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N(C=N)C2=CC=CC=C2

DOS

IR

Vibrations